CID 37446

Rmi 2557da

Structural Information

Molecular Formula
C37H54N2O5
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C37H54N2O5/c1-5-9-19-38(20-10-6-2)23-13-25-43-36(41)29-15-17-31-32-18-16-30(28-34(32)35(40)33(31)27-29)37(42)44-26-14-24-39(21-11-7-3)22-12-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3
InChIKey
KLRPLWLWTFEQKR-UHFFFAOYSA-N
Compound name
bis[3-(dibutylamino)propyl] 9-oxofluorene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.40326 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.41054 258.0
[M+Na]+ 629.39248 264.0
[M+NH4]+ 624.43708 260.9
[M+K]+ 645.36642 257.4
[M-H]- 605.39598 259.2
[M+Na-2H]- 627.37793 256.4
[M]+ 606.40271 258.7
[M]- 606.40381 258.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.